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MassBank Record: MSBNK-Fac_Eng_Univ_Tokyo-JP004020

ORTHO-METHYLANISOLE; EI-B; MS

Mass Spectrum
Chemical Structure
Generated by the Chemistry Development Kit (http://github.com/cdk)

ACCESSION: MSBNK-Fac_Eng_Univ_Tokyo-JP004020
RECORD_TITLE: ORTHO-METHYLANISOLE; EI-B; MS
DATE: 2016.01.19 (Created 2008.10.21, modified 2011.05.06)
AUTHORS: MASS SPECTROSCOPY SOC. OF JAPAN (MSSJ)
LICENSE: CC BY-NC-SA

CH$NAME: ORTHO-METHYLANISOLE
CH$COMPOUND_CLASS: N/A
CH$FORMULA: C8H10O
CH$EXACT_MASS: 122.07316
CH$SMILES: COc(c1)c(C)ccc1
CH$IUPAC: InChI=1S/C8H10O/c1-7-5-3-4-6-8(7)9-2/h3-6H,1-2H3
CH$LINK: INCHIKEY DTFKRVXLBCAIOZ-UHFFFAOYSA-N
CH$LINK: COMPTOX DTXSID9060368

AC$INSTRUMENT: HITACHI RMU-6L
AC$INSTRUMENT_TYPE: EI-B
AC$MASS_SPECTROMETRY: MS_TYPE MS
AC$MASS_SPECTROMETRY: ION_MODE POSITIVE
AC$MASS_SPECTROMETRY: IONIZATION_ENERGY 70 eV

MS$FOCUSED_ION: ION_TYPE [M]+*

PK$SPLASH: splash10-00di-3900000000-6946b8ce60a292dc8ca3
PK$NUM_PEAK: 8
PK$PEAK: m/z int. rel.int.
  65 9.4 94
  77 27.2 272
  79 14 140
  91 3.61 36
  92 8.1 81
  107 46.1 461
  122 99.99 999
  123 9.3 93
//

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